(2R,3R)-2-(3-chlorophenyl)-N,1-diethyl-N-methyl-6-oxopiperidine-3-carboxamide

C17H23ClN2O2 — CID 110090490

IUPAC(2R,3R)-2-(3-chlorophenyl)-N,1-diethyl-N-methyl-6-oxopiperidine-3-carboxamide
SMILESCCN(C)C(=O)[C@@H]1CCC(=O)N(CC)[C@H]1c1cccc(Cl)c1
InChIInChI=1S/C17H23ClN2O2/c1-4-19(3)17(22)14-9-10-15(21)20(5-2)16(14)12-7-6-8-13(18)11-12/h6-8,11,14,16H,4-5,9-10H2,1-3H3/t14-,16+/m1/s1
InChIKeyFKQMOPRUALQVGI-ZBFHGGJFSA-N
MW322.84 g/mol
LogP3.12
Rot. Bonds4

About (2R,3R)-2-(3-chlorophenyl)-N,1-diethyl-N-methyl-6-oxopiperidine-3-carboxamide

(2R,3R)-2-(3-chlorophenyl)-N,1-diethyl-N-methyl-6-oxopiperidine-3-carboxamide (PubChem CID 110090490) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is (2R,3R)-2-(3-chlorophenyl)-N,1-diethyl-N-methyl-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-2-(3-chlorophenyl)-N,1-diethyl-N-methyl-6-oxopiperidine-3-carboxamide
PubChem CID110090490
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC Name(2R,3R)-2-(3-chlorophenyl)-N,1-diethyl-N-methyl-6-oxopiperidine-3-carboxamide
SMILESCCN(C)C(=O)[C@@H]1CCC(=O)N(CC)[C@H]1c1cccc(Cl)c1
InChIInChI=1S/C17H23ClN2O2/c1-4-19(3)17(22)14-9-10-15(21)20(5-2)16(14)12-7-6-8-13(18)11-12/h6-8,11,14,16H,4-5,9-10H2,1-3H3/t14-,16+/m1/s1
InChIKeyFKQMOPRUALQVGI-ZBFHGGJFSA-N
XLogP3.12
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(3-chlorophenyl)-N,1-diethyl-N-methyl-6-oxopiperidine-3-carboxamide?
The IUPAC name of (2R,3R)-2-(3-chlorophenyl)-N,1-diethyl-N-methyl-6-oxopiperidine-3-carboxamide (CID 110090490) is (2R,3R)-2-(3-chlorophenyl)-N,1-diethyl-N-methyl-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (2R,3R)-2-(3-chlorophenyl)-N,1-diethyl-N-methyl-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (2R,3R)-2-(3-chlorophenyl)-N,1-diethyl-N-methyl-6-oxopiperidine-3-carboxamide is CCN(C)C(=O)[C@@H]1CCC(=O)N(CC)[C@H]1c1cccc(Cl)c1.
What is the InChIKey of (2R,3R)-2-(3-chlorophenyl)-N,1-diethyl-N-methyl-6-oxopiperidine-3-carboxamide?
The InChIKey is FKQMOPRUALQVGI-ZBFHGGJFSA-N. The full InChI is InChI=1S/C17H23ClN2O2/c1-4-19(3)17(22)14-9-10-15(21)20(5-2)16(14)12-7-6-8-13(18)11-12/h6-8,11,14,16H,4-5,9-10H2,1-3H3/t14-,16+/m1/s1.
What are the key properties of (2R,3R)-2-(3-chlorophenyl)-N,1-diethyl-N-methyl-6-oxopiperidine-3-carboxamide?
(2R,3R)-2-(3-chlorophenyl)-N,1-diethyl-N-methyl-6-oxopiperidine-3-carboxamide has a molecular weight of 322.84 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(3-chlorophenyl)-N,1-diethyl-N-methyl-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 110090490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).